8-tricyclo[5.2.1.02,6]decanyl benzoate

C17H20O2 — CID 4024084

IUPAC8-tricyclo[5.2.1.02,6]decanyl benzoate
SMILESO=C(OC1CC2CC1C1CCCC21)c1ccccc1
InChIInChI=1S/C17H20O2/c18-17(11-5-2-1-3-6-11)19-16-10-12-9-15(16)14-8-4-7-13(12)14/h1-3,5-6,12-16H,4,7-10H2
InChIKeyWMHKCEQEZWHMRE-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.67
Rot. Bonds2

About 8-tricyclo[5.2.1.02,6]decanyl benzoate

8-tricyclo[5.2.1.02,6]decanyl benzoate (PubChem CID 4024084) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 8-tricyclo[5.2.1.02,6]decanyl benzoate.

Molecular Properties

Compound Name8-tricyclo[5.2.1.02,6]decanyl benzoate
PubChem CID4024084
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name8-tricyclo[5.2.1.02,6]decanyl benzoate
SMILESO=C(OC1CC2CC1C1CCCC21)c1ccccc1
InChIInChI=1S/C17H20O2/c18-17(11-5-2-1-3-6-11)19-16-10-12-9-15(16)14-8-4-7-13(12)14/h1-3,5-6,12-16H,4,7-10H2
InChIKeyWMHKCEQEZWHMRE-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R,2R,6R,7R,8S)-8-tricyclo[5.2.1.02,6]decanyl]oxycarbonyl]benzoic acid
CID 138958202
2-[[(1R,2S,6R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]oxycarbonyl]benzoic acid
CID 98113367
(14-benzoyloxy-13-tricyclo[6.4.2.02,7]tetradecanyl) benzoate
CID 174194512
[(1R,2R,3R,5R,7R,8R,9S)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl] benzoate
CID 98509794
[(1R,2S,3S,5R,7S,8S,9R)-3-methyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl] benzoate
CID 98509808
(3-benzoyloxy-5-methoxy-2-bicyclo[2.2.2]octanyl) benzoate
CID 174205170
[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl] benzoate
CID 11593734
[(1S,2R)-2-hydroxycycloheptyl] benzoate
CID 56958407
2-[[(1S,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]oxy]phenol
CID 125499572
[(1S,5R,6S)-8-azabicyclo[3.2.1]octan-6-yl] benzoate
CID 10728231
[(1S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl] 2-methylprop-2-enoate
CID 102408492
3-benzoyloxy-8-(hydroxymethyl)bicyclo[3.2.1]octane-2-carboxylic acid
CID 71232384

Frequently Asked Questions

What is the IUPAC name of 8-tricyclo[5.2.1.02,6]decanyl benzoate?
The IUPAC name of 8-tricyclo[5.2.1.02,6]decanyl benzoate (CID 4024084) is 8-tricyclo[5.2.1.02,6]decanyl benzoate.
What is the SMILES notation for 8-tricyclo[5.2.1.02,6]decanyl benzoate?
The canonical SMILES for 8-tricyclo[5.2.1.02,6]decanyl benzoate is O=C(OC1CC2CC1C1CCCC21)c1ccccc1.
What is the InChIKey of 8-tricyclo[5.2.1.02,6]decanyl benzoate?
The InChIKey is WMHKCEQEZWHMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c18-17(11-5-2-1-3-6-11)19-16-10-12-9-15(16)14-8-4-7-13(12)14/h1-3,5-6,12-16H,4,7-10H2.
What are the key properties of 8-tricyclo[5.2.1.02,6]decanyl benzoate?
8-tricyclo[5.2.1.02,6]decanyl benzoate has a molecular weight of 256.34 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tricyclo[5.2.1.02,6]decanyl benzoate is sourced from PubChem (CID 4024084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).